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Chemical ID: 7382714
Chemical ID:
7382714
Name [?]:
5-(2-hydroxy-3,4-dimethyl-phenyl)-N-(4-pyridylmethyl)-2H-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1C)O)c2cc([nH]n2)C(=O)NCc3ccncc3
InChi [?]:
InChI=1/C18H18N4O2/c1-11-3-4-14(17(23)12(11)2)15-9-16(22-21-15)18(24)20-10-13-5-7-19-8-6-13/h3-9,23H,10H2,1-2H3,(H,20,24)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,20,24,21,23,11,18,2,7,19,5,10,12,6,15,22,17,14,13,9,16/E:(5,6)(7,8)/rA:24nCCCCCCCCOCCCNNCONCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;s10;d11;s12;d10s13;s12;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N4O2 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32997 |
Area: | 543.943 |
Solvation: | -4.2686 |
Coulombic: | -52.0142 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.361 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.78 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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